⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28074564 | 0.83 | SRC (0.32) | — | |
| SCHEMBL26677682 | 0.77 | — | — | |
| SCHEMBL28413729 | 0.73 | PIN1 (0.31) | — | |
| SCHEMBL26632902 | 0.73 | — | — | |
| SCHEMBL28074589 | 0.72 | SRC (0.32) | — | |
| SCHEMBL28317143 | 0.71 | TDP1 (0.34) | — | |
| SCHEMBL28099968 | 0.71 | ALDH1A1 (0.42) | — | |
| Ethoxycarbonyl Group SCHEMBL28113137 | 0.71 | DGAT1 (0.33) | — | |
| SCHEMBL27991619 | 0.71 | — | — | |
| SCHEMBL23941150 | 0.71 | DHFR (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104254533-A | Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2014-12-31 | — | — | CN | disclosed |
| CN-104169275-A | Triazolyl-substituted pyridyl compounds useful as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2014-11-26 | — | — | CN | disclosed |
| CN-104159896-A | Heterocyclic-substituted pyridyl compounds useful as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2014-11-19 | — | — | CN | disclosed |
| CN-102227409-B | Pyridine-3-carboxyamide derivative | KOWA CO | 2014-03-26 | — | — | CN | disclosed |